Compound Identification
SMILES
CCC1=CC=C(S1)C(=O)COC1=CC2=C(C=CC(=O)O2)C=C1
InChIKey
InChIKey=NDVBGLMMNJOAMR-UHFFFAOYSA-N
Formula
C17H14O4S
Mass
314.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Phenol ethers Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers 2,5-disubstituted thiophenes Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - 2,5-disubstituted thiophene - Pyran - Benzenoid - Heteroaromatic compound - Thiophene - Lactone - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available